Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018155

Phytochemical name: Dl-patchenol

Synonymous chemical names:
DL-PATCHENOL

Chemical structure information

SMILES:
OC/C=C\1/C2CCC(C1(C)C)C2

InChI:
InChI=1S/C11H18O/c1-11(2)9-4-3-8(7-9)10(11)5-6-12/h5,8-9,12H,3-4,6-7H2,1-2H3/b10-5-

InChIKey:
JGDHOHFQJJATNG-YHYXMXQVSA-N

DeepSMILES:
OC/C=C/CCCCC/6C)C))C5

Functional groups:
CO, C/C=C(/C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC2CCC1C2

Scaffold Graph/Node level:
CC1CC2CCC1C2

Scaffold Graph level:
CC1CC2CCC1C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Camphane monoterpenoids

NP-Likeness score: 2.251

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Chemical structure download